2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide

C11H20F3NO3 — CID 10778511

IUPAC2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide
SMILESCCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C11H20F3NO3/c1-5-6-9(18-7-11(12,13)14)15(3)10(16)8(2)17-4/h8-9H,5-7H2,1-4H3
InChIKeyLPFRFYOGPJDKRY-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.18
Rot. Bonds7

About 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide

2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide (PubChem CID 10778511) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide
PubChem CID10778511
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide
SMILESCCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC
InChIInChI=1S/C11H20F3NO3/c1-5-6-9(18-7-11(12,13)14)15(3)10(16)8(2)17-4/h8-9H,5-7H2,1-4H3
InChIKeyLPFRFYOGPJDKRY-UHFFFAOYSA-N
XLogP2.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide?
The IUPAC name of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide (CID 10778511) is 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide is CCCC(OCC(F)(F)F)N(C)C(=O)C(C)OC.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide?
The InChIKey is LPFRFYOGPJDKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-5-6-9(18-7-11(12,13)14)15(3)10(16)8(2)17-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide?
2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide has a molecular weight of 271.28 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-(2,2,2-trifluoroethoxy)butyl]propanamide is sourced from PubChem (CID 10778511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).